N-(1,3-benzodioxol-5-ylmethyl)-N-methyl-1-pyrazin-2-ylpiperidine-4-carboxamide

C19H22N4O3 — CID 38792182

IUPACN-(1,3-benzodioxol-5-ylmethyl)-N-methyl-1-pyrazin-2-ylpiperidine-4-carboxamide
SMILESCN(Cc1ccc2c(c1)OCO2)C(=O)C1CCN(c2cnccn2)CC1
InChIInChI=1S/C19H22N4O3/c1-22(12-14-2-3-16-17(10-14)26-13-25-16)19(24)15-4-8-23(9-5-15)18-11-20-6-7-21-18/h2-3,6-7,10-11,15H,4-5,8-9,12-13H2,1H3
InChIKeyGQVYVWBKMHEXAH-UHFFFAOYSA-N
MW354.41 g/mol
LogP2.08
Rot. Bonds4

About N-(1,3-benzodioxol-5-ylmethyl)-N-methyl-1-pyrazin-2-ylpiperidine-4-carboxamide

N-(1,3-benzodioxol-5-ylmethyl)-N-methyl-1-pyrazin-2-ylpiperidine-4-carboxamide (PubChem CID 38792182) has the molecular formula C19H22N4O3 and a molecular weight of 354.41 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-N-methyl-1-pyrazin-2-ylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-N-methyl-1-pyrazin-2-ylpiperidine-4-carboxamide
PubChem CID38792182
Molecular FormulaC19H22N4O3
Molecular Weight354.41 g/mol
Exact Mass354.17
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-N-methyl-1-pyrazin-2-ylpiperidine-4-carboxamide
SMILESCN(Cc1ccc2c(c1)OCO2)C(=O)C1CCN(c2cnccn2)CC1
InChIInChI=1S/C19H22N4O3/c1-22(12-14-2-3-16-17(10-14)26-13-25-16)19(24)15-4-8-23(9-5-15)18-11-20-6-7-21-18/h2-3,6-7,10-11,15H,4-5,8-9,12-13H2,1H3
InChIKeyGQVYVWBKMHEXAH-UHFFFAOYSA-N
XLogP2.08
TPSA67.79 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1,3-benzodioxol-5-ylmethyl)-N-methylcyclopropanecarboxamide
CID 60655395
1-acetyl-N-(1,3-benzodioxol-5-ylmethyl)-N-methylpiperidine-4-carboxamide
CID 32544635
N-methyl-1-pyrazin-2-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]piperidine-4-carboxamide
CID 134004681
N-ethyl-N-methyl-1-pyrazin-2-ylpiperidine-4-carboxamide
CID 134005797
N-(1,3-benzodioxol-5-ylmethyl)-N-methyl-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide
CID 55712469
2-[methyl-(1-pyrazin-2-ylpiperidine-4-carbonyl)amino]acetic acid
CID 119346169
tert-butyl 4-[1,3-benzodioxol-5-ylmethyl(methyl)carbamoyl]piperidine-1-carboxylate
CID 31339965
N-[(3-chlorophenyl)methyl]-N-methyl-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 46597069
3-(1,3-benzodioxol-5-yl)-N-(1-pyrazin-2-ylpiperidin-3-yl)propanamide
CID 77087086
N-(1,3-benzodioxol-5-ylmethyl)-N-methylcyclohex-3-ene-1-carboxamide
CID 78801154
(6S)-1-(1,3-benzodioxol-5-ylmethyl)-4-pyrazin-2-yl-1,4-diazepan-6-ol
CID 99974790
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-methylpiperidine-4-carboxamide
CID 55336042

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-N-methyl-1-pyrazin-2-ylpiperidine-4-carboxamide?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-N-methyl-1-pyrazin-2-ylpiperidine-4-carboxamide (CID 38792182) is N-(1,3-benzodioxol-5-ylmethyl)-N-methyl-1-pyrazin-2-ylpiperidine-4-carboxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-N-methyl-1-pyrazin-2-ylpiperidine-4-carboxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-N-methyl-1-pyrazin-2-ylpiperidine-4-carboxamide is CN(Cc1ccc2c(c1)OCO2)C(=O)C1CCN(c2cnccn2)CC1.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-N-methyl-1-pyrazin-2-ylpiperidine-4-carboxamide?
The InChIKey is GQVYVWBKMHEXAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O3/c1-22(12-14-2-3-16-17(10-14)26-13-25-16)19(24)15-4-8-23(9-5-15)18-11-20-6-7-21-18/h2-3,6-7,10-11,15H,4-5,8-9,12-13H2,1H3.
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-N-methyl-1-pyrazin-2-ylpiperidine-4-carboxamide?
N-(1,3-benzodioxol-5-ylmethyl)-N-methyl-1-pyrazin-2-ylpiperidine-4-carboxamide has a molecular weight of 354.41 g/mol, XLogP of 2.08, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-ylmethyl)-N-methyl-1-pyrazin-2-ylpiperidine-4-carboxamide is sourced from PubChem (CID 38792182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).